Browsing by Author "de Souza, JM"

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    Raman and neutron scattering study of partially deuterated l-alanine: evidence of a solid-solid phase transition
    (Wiley-VCH Verlag Berlin, 2009-12-21) de Souza, JM; Freire, PTC; Argyriou, DN; Stride, JA; Barthes, M; Kalceff, W; Bordallo, HN
    Raman and neutron experiments using specific isotope labeling were combined in order to study the dynamics and structure Of L-alanine. Inelastic neutron and Raman scattering data of C2H4(ND2)CO2D are discussed in relation to the doubling of the lattice parameter a observed by means of neutron powder diffraction in C2D4 (NH2)CO2H. The major changes accompanying the phase transition are found in the vibrational frequencies involving the torsional vibration tau(CO2-) which is clearly affected by the hydrogen bonds between the protons of the ammonium group and the oxygen atoms of the carboxylate group. At lower temperatures the rearrangement of identifiable hydrogen bonds induces changes in the bending vibration delta(ND3), confirming some orientational disorder. © 2009, Wiley-VCH Verlag Berlin